methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate

C5H11N3O2 — CID 167474146

IUPACmethyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate
SMILESCOC(=O)/C(N)=C/N(C)N
InChIInChI=1S/C5H11N3O2/c1-8(7)3-4(6)5(9)10-2/h3H,6-7H2,1-2H3/b4-3-
InChIKeyJJHJRQGVTIOASW-ARJAWSKDSA-N
MW145.16 g/mol
LogP-1.24
Rot. Bonds2

About methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate

methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate (PubChem CID 167474146) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate
PubChem CID167474146
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Namemethyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate
SMILESCOC(=O)/C(N)=C/N(C)N
InChIInChI=1S/C5H11N3O2/c1-8(7)3-4(6)5(9)10-2/h3H,6-7H2,1-2H3/b4-3-
InChIKeyJJHJRQGVTIOASW-ARJAWSKDSA-N
XLogP-1.24
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate?
The IUPAC name of methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate (CID 167474146) is methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate?
The canonical SMILES for methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate is COC(=O)/C(N)=C/N(C)N.
What is the InChIKey of methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate?
The InChIKey is JJHJRQGVTIOASW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-8(7)3-4(6)5(9)10-2/h3H,6-7H2,1-2H3/b4-3-.
What are the key properties of methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate?
methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate has a molecular weight of 145.16 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-amino-3-[amino(methyl)amino]prop-2-enoate is sourced from PubChem (CID 167474146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).